N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1333 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 580.68 |
| Molecular Formula: | C28 H28 N4 O6 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCCC(NCc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5582 |
| logD: | 3.5582 |
| logSw: | -3.8676 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.628 |
| InChI Key: | XXYPPDOIDGFMNE-UHFFFAOYSA-N |